SCHEMBL2492804

SCHEMBL2492804

CCn1cnc2cnc(Br)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.43
RAB9A P51151 7/20 0.43
LMNA P02545 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
EGFR P00533 1/20 0.37
POLB P06746 2/20 0.37
GLP1R P43220 1/20 0.36
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
GFER P55789 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15742496 0.81 EGFR (0.40) LMNAEGFRPOLBGLP1R
SCHEMBL16168208 0.79 MAPT (0.38) NPC1RAB9ALMNAKMT2AMEN1
SCHEMBL1396998 0.79 EGFR (0.45) NPC1RAB9ALMNAHDAC1KMT2A
SCHEMBL15174835 0.79 PRPS1 (0.44) NPC1RAB9ALMNAHDAC1HDAC8
SCHEMBL9128647 0.78 NPC1 (0.48) NPC1RAB9ALMNAHDAC1HDAC8
SCHEMBL10183102 0.76 ALDH1A1 (0.39) NPC1RAB9ALMNAHDAC1HDAC8
SCHEMBL1396974 0.76 DYRK1A (0.40) NPC1RAB9ALMNAHDAC1HDAC8
SCHEMBL1940039 0.75 NPC1 (0.52) NPC1RAB9ALMNAHDAC1HDAC8
SCHEMBL1396985 0.74 QPCT (0.52) NPC1RAB9ALMNAKMT2AMEN1
SCHEMBL10184009 0.73 HDAC1 (0.41) NPC1RAB9ALMNAHDAC1HDAC8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 US disclosed
EP-2379513-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-26 EP disclosed
WO-2010078408-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2010-07-08 WO disclosed
WO-2010078408-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2010-07-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF NPC1 959/4885RAB9A 614/4885LMNA 3593/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.